3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine

C8H14F3N — CID 170259901

IUPAC3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESC=C(CC)CCNCC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-3-7(2)4-5-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyYNVSKGFXICYNRS-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.49
Rot. Bonds5

About 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine

3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 170259901) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID170259901
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESC=C(CC)CCNCC(F)(F)F
InChIInChI=1S/C8H14F3N/c1-3-7(2)4-5-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyYNVSKGFXICYNRS-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-methylidenepentan-1-amine
CID 66038993
N-ethyl-2,2,2-trifluoroethanamine
CID 12769779
2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
CID 106176036
N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
CID 170178484
N-[2-(2-butoxyethoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62598152
N-(2-butan-2-ylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 62579251
N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide
CID 43401592
5-methylidene-N-propylheptan-1-amine
CID 66039759
3-methyl-1-(2,2,2-trifluoroethylamino)but-3-en-2-one
CID 116588575
5-methylidenehept-1-ene
CID 54202269
2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 61264894
N',N'-dibutyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55085121

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 170259901) is 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine is C=C(CC)CCNCC(F)(F)F.
What is the InChIKey of 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is YNVSKGFXICYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-3-7(2)4-5-12-6-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine?
3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 170259901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).